ChemSpider 2D Image | 1-(~2~H_3_)Methyl-5-nitro-1H-indole | C9H5D3N2O2

1-(2H3)Methyl-5-nitro-1H-indole

  • Molecular FormulaC9H5D3N2O2
  • Average mass179.191 Da
  • Monoisotopic mass179.077408 Da
  • ChemSpider ID58794156

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2H3)Methyl-5-nitro-1H-indol [German] [ACD/IUPAC Name]
1-(2H3)Methyl-5-nitro-1H-indole [ACD/IUPAC Name]
1-(2H3)Méthyl-5-nitro-1H-indole [French] [ACD/IUPAC Name]
1H-Indole, 1-(methyl-d3)-5-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 339.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 159.0±20.4 °C
Index of Refraction: 1.631
Molar Refractivity: 48.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.90
ACD/KOC (pH 5.5): 504.42
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.90
ACD/KOC (pH 7.4): 504.42
Polar Surface Area: 51 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 135.7±7.0 cm3

Click to predict properties on the Chemicalize site


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